Compound Detail
CHEMBL3653700
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Basic Information
| ChEMBL ID | CHEMBL3653700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMESWUXBYLEHJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
4.46
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.83 | 6.79 | 147.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 147.0 | nM | 6.83 | TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as foll... | - |
| Beta-secretase 1 | IC50 | = | 180.0 | nM | 6.75 | TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as foll... | - |
Data from ChEMBL 36 via Core Engine